SCHEMBL20074777

SCHEMBL20074777

COc1c(-c2ccc(C#N)cc2)nn(C)c1N

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 10/20 0.47
MAPKAPK2 P49137 1/20 0.43
CYP11B2 P19099 1/20 0.40
NSD2 O96028 2/20 0.39
ADORA1 P30542 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
PRKDC P78527 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20075475 0.80 MAPK14 (0.56) SLC34A1BRAFKDR
SCHEMBL20074694 0.80 CYP11B2 (0.46) SLC34A1CYP11B2NSD2BRAFKDR
SCHEMBL20075468 0.79 SLC34A1 (0.47) SLC34A1MAPKAPK2CYP11B2NSD2F2RL3
SCHEMBL20074780 0.79 CYP11B2 (0.42) SLC34A1CYP11B2NSD2BRAFKDR
SCHEMBL20074767 0.77 SLC34A1 (0.54) SLC34A1
SCHEMBL20075173 0.77 SLC34A1 (0.47) SLC34A1CYP11B2NSD2BRAFKDR
SCHEMBL2165988 0.69 HRH4 (0.60) ADORA1
SCHEMBL21711332 0.69 SLC34A1 (0.52) SLC34A1MAPKAPK2CYP11B2NSD2PRKDC
SCHEMBL4048227 0.69 TLR7 (0.50) CYP11B2NSD2ADORA1
SCHEMBL20074806 0.68 CYP11B2 (0.46) SLC34A1CYP11B2NSD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
EP-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP disclosed
EP-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP disclosed
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-02-20 US disclosed
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-02-20 US disclosed
CN-110191884-A Substituted 6- (1H-pyrazol-1-yl) pyrimidine-4-amine derivatives and uses thereof 拜耳公司 2019-08-30 CN disclosed
WO-2018069222-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-04-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof REN, ATP6V1B1, GLS SLC34A1 1550/4885MAPKAPK2 3070/4885CYP11B2 30/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS SLC34A1 1550/4885MAPKAPK2 3070/4885CYP11B2 30/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS SLC34A1 1550/4885MAPKAPK2 3070/4885CYP11B2 30/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.